Spektraris NMR
6b,30-dihydroxy-3-oxolup-20(29)-en-28-oic acid
Common Name: 6b,30-dihydroxy-3-oxolup-20(29)-en-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-17(16-31)18-9-12-30(25(34)35)14-13-28(5)19(23(18)30)7-8-21-27(4)11-10-22(33)26(2,3)24(27)20(32)15-29(21,28)6/h18-21,23-24,31-32H,1,7-16H2,2-6H3,(H,34,35)/t18-,19+,20+,21+,23+,24-,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=KLNFSIALEXSFON-ZZZYEPHESA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Fukuda, Y., Yamada, T., Wada, S.I., Sakai, K., Matsunaga, S., Tanaka, R. J Nat Prod (2006) 69, 142-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 42.5 |
| 2 (CH2) | 34.8 |
| 3 (C) | 215.7 |
| 4 (C) | 49.4 |
| 5 (CH) | 56.9 |
| 6 (CH) | 68.5 |
| 7 (CH2) | 42.4 |
| 8 (C) | 40.5 |
| 9 (CH) | 51.2 |
| 10 (C) | 37.2 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 27.3 |
| 13 (CH) | 37.2 |
| 14 (C) | 43 |
| 15 (CH2) | 30.4 |
| 16 (CH2) | 32.8 |
| 17 (C) | 56.6 |
| 18 (CH) | 50.4 |
| 19 (CH) | 43.5 |
| 20 (C) | 157.1 |
| 21 (CH2) | 33.1 |
| 22 (CH2) | 37.5 |
| 23 (CH3) | 25.2 |
| 24 (CH3) | 23.9 |
| 25 (CH3) | 17 |
| 26 (CH3) | 17.2 |
| 27 (CH3) | 15.1 |
| 28 (C) | 178.8 |
| 29 (CH2) | 106.1 |
| 30 (CH2) | 64.6 |
